SCHEMBL4985987

SCHEMBL4985987

NC(=O)c1n[c]c2c(n1)CN(Cc1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
PARP1 P09874 1/20 0.43
GRM2 Q14416 6/20 0.43
C5AR1 P21730 1/20 0.42
FAAH O00519 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
BRS3 P32247 1/20 0.41
ADORA1 P30542 1/20 0.41
GPR52 Q9Y2T5 2/20 0.41
ATM Q13315 1/20 0.40
DRD4 P21917 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4993145 0.92 FAAH (0.47) KDM4EALDH1A1GAALMNAPARP1
SCHEMBL4983033 0.88 GRM2 (0.41) KDM4EALDH1A1PARP1GRM2
SCHEMBL4988838 0.87 GRM2 (0.47) KDM4EALDH1A1GRM2FAAHSIGMAR1
SCHEMBL4993429 0.86 DRD4 (0.42) GRM2GPR52DRD4
SCHEMBL4986124 0.85 CLPP (0.42) KDM4EALDH1A1PARP1GRM2FAAH
SCHEMBL4993338 0.85 CLPP (0.42) KDM4EGAAGRM2FAAHSIGMAR1
SCHEMBL4986167 0.85 GRM2 (0.41) KDM4EALDH1A1LMNAPARP1GRM2
SCHEMBL4984714 0.85 KMT2A (0.44) KDM4EALDH1A1GAAPARP1ADORA1
SCHEMBL4989419 0.84 GPR142 (0.43) GPR52
SCHEMBL4988919 0.84 C5AR1 (0.38) GRM2C5AR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KDM4E 4128/4885ALDH1A1 3640/4885GAA 4179/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.